SCHEMBL29193085

SCHEMBL29193085

CC(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SLC28A3 Q9HAS3 4/20 0.61
▸ TYR P14679 1/20 0.54
▸ POLB P06746 1/20 0.53
▸ CA12 O43570 1/20 0.52
▸ CA1 P00915 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14120361 0.89 TYR (0.56) SLC28A3TYR
SCHEMBL29193245 0.89 TYR (0.56) SLC28A3TYR
SCHEMBL17653886 0.89 TYR (0.56) SLC28A3TYR
SCHEMBL28839259 0.88 ALDH1A1 (0.54) SLC28A3TYR
SCHEMBL14120060 0.88 ALDH1A1 (0.54) SLC28A3TYR
SCHEMBL14120003 0.88 TYR (0.54) SLC28A3TYRPOLB
SCHEMBL14120249 0.86 TYR (0.53) SLC28A3TYR
SCHEMBL16785944 0.85 TYR (0.68) SLC28A3TYRPOLBCA12CA1
SCHEMBL17366541 0.85 TYR (0.68) SLC28A3TYRPOLBCA12CA1
SCHEMBL20306177 0.85 TYR (0.68) SLC28A3TYRPOLBCA12CA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114381484-B Application of UGT85A1 or RrUGT3 in catalyzing various substrates to generate glycoside compounds 山东大学 2024-04-19 — — CN claimed
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